SCHEMBL12410054

SCHEMBL12410054

Clc1nc2ccccc2nc1C1CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
KDM4E B2RXH2 3/20 0.44
PKM P14618 1/20 0.44
LCK P06239 2/20 0.44
ACHE P22303 3/20 0.41
BCHE P06276 1/20 0.41
MAPT P10636 2/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
PRKAA2 P54646 1/20 0.38
KMT2A Q03164 1/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
MAOA P21397 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7697729 0.82 TDP1 (0.50) TDP1KDM4EPKMMAPTHTR3B
SCHEMBL31318337 0.82 TDP1 (0.41) TDP1KDM4EPKMLCKMAPT
SCHEMBL31193184 0.75 LCK (0.44) TDP1KDM4ELCKACHEBCHE
SCHEMBL23877258 0.75 MAPT (0.56) TDP1KDM4ELCKACHEBCHE
SCHEMBL26534313 0.75 ALDH1A1 (0.47) TDP1KDM4ELCKACHEBCHE
SCHEMBL15665549 0.75 ALDH1A1 (0.51) TDP1KDM4EMAPTL3MBTL1KMT2A
SCHEMBL2590292 0.75 PDE10A (0.45) TDP1KDM4EPKMMAPT
SCHEMBL15665836 0.75 ALDH1A1 (0.51) TDP1KDM4EMAPTL3MBTL1KMT2A
SCHEMBL116696 0.74 TDP1 (1.00) TDP1KDM4EPKMACHEMAPT
SCHEMBL29451077 0.74 TDP1 (1.00) TDP1KDM4EPKMACHEMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116583509-A Compounds and methods for treating cancer 上海睿跃生物科技有限公司 2023-08-11 CN disclosed
WO-2022073469-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2022-04-14 WO disclosed
EP-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 EP disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B TDP1 998/4885KDM4E 397/4885PKM 2284/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.